tert-butyl 3-[[(E)-but-2-enoyl]amino]-4-methyl-2-propyl-benzenesulfonate

Systemtic Name: tert-butyl 3-[[(E)-but-2-enoyl]amino]-4-methyl-2-propyl-benzenesulfonate Openeye Name: tert-butyl 3-[[(E)-but-2-enoyl]amino]-4-methyl-2-propyl-benzenesulfonate CAS Name: 4-methyl-3-[[(E)-1-oxobut-2-enyl]amino]-2-propylbenzenesulfonic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(E)-but-2-enoyl]amino]-4-methyl-2-propylbenzenesulfonate Traditional Name: 3-[[(E)-but-2-enoyl]amino]-4-methyl-2-propyl-benzenesulfonic acid tert-butyl ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1NC(=O)C=CC)C)S(=O)(=O)OC(C)(C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1NC(=O)/C=C/C)C)S(=O)(=O)OC(C)(C)C

InChI

InChI=1S/C18H27NO4S/c1-7-9-14-15(24(21,22)23-18(4,5)6)12-11-13(3)17(14)19-16(20)10-8-2/h8,10-12H,7,9H2,1-6H3,(H,19,20)/b10-8+